2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C11H15N5O3S MolecularWeight: 297.3335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15N5O3S/c1-5(2)16-7-8(13-11(16)20-4-6(12)17)15(3)10(19)14-9(7)18/h5H,4H2,1-3H3,(H2,12,17)(H,14,18,19)